SEPLIARSKY, M.; MACHADO, R.; TINTE, S.; STACHIOTTI, M.G.

Effects of the antiferrodistortive instability on the structural behavior of BaZrO3 by atomistic simulations

Physical Review B; Año: 2023 vol. 107

PAVLENKO, MAKSIM A.; DI RINO, FRANCO; BORON, LEO; KONDOVYCH, SVITLANA; SENÉ, ANAÏS; TIKHONOV, YURI A.; RAZUMNAYA, ANNA G.; VINOKUR, VALERII M.; SEPLIARSKY, MARCELO; LUKYANCHUK, IGOR A.

Phase Diagram of a Strained Ferroelectric Nanowire

Crystals; Lugar: Basel; Año: 2022 vol. 12

DI RINO, F.; SEPLIARSKY, M.; STACHIOTTI, M. G.

Topology of the polarization field in PbTiO 3 nanoparticles of different shapes by atomic-level simulations

JOURNAL OF APPLIED PHYSICS; Año: 2020 vol. 127

R. MACHADO; A. DI LORETO; A. FRATTINI; M. SEPLIARSKY; M. G. STACHIOTTI

Site occupancy effects of Mg impurities in BaTiO 3

JOURNAL OF ALLOYS AND COMPOUNDS; Lugar: Amsterdam; Año: 2019 vol. 809

GRAF, M.; DI NAPOLI, S.; BARRAL, M.A.; SALEH MEDINA, L.M.; NEGRI, R.M.; SEPLIARSKY, M.; LLOIS, A.M.

Rhombohedral R3c to orthorhombic Pnma phase transition induced by Y-doping in BiFeO3

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2018 vol. 30

GRAF, M.; SEPLIARSKY, M.; STACHIOTTI, M.G.

Atomic-level study of BiFe O3 under epitaxial strain

PHYSICAL REVIEW B; Año: 2016 vol. 94

M. GRAF; M. SEPLIARSKY; R. MACHADO; M. G. STACHIOTTI

Dielectric and piezoelectric properties of BiFeO 3 from molecular dynamics simulations

SOLID STATE COMMUNICATIONS; Lugar: Amsterdam; Año: 2015 p. 10 - 13

M. GRAF; M. SEPLIARSKY; M. G. STACHIOTTI; S. TINTE

Development of an Atomic Level Model for BiFeO3 from First-Principles.

FERROELECTRICS; Lugar: Londres; Año: 2014 vol. 461 p. 61 - 67

M. GRAF; M. SEPLIARSKY; M. G. STACHIOTTI; S. TINTE

Phase transitions and antiferroelectricity in BiFeO 3 from atomic-level simulations

PHYSICAL REVIEW B; Lugar: New York; Año: 2014 vol. 90 p. 184108 - 184108

R. MACHADO; A. DI LORETO; A. FRATTINI; M. SEPLIARSKY; O. DE SANCTIS; M. G. STACHIOTTI

Phase transition, dielectric and piezoelectric properties of Li xK1-x NbO3

JOURNAL OF ALLOYS AND COMPOUNDS; Lugar: Amsterdam; Año: 2014 vol. 621 p. 256 - 262

R. MACHADO; M. SEPLIARSKY; M. G. STACHIOTTI

Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates

APPLIED PHYSICS LETTERS; Lugar: New York; Año: 2013 vol. 103 p. 242901 - 242901

M. G. STACHIOTTI; M. SEPLIARSKY

Nanoscale Toroidal Ferroelectricity in PbTiO3

FERROELECTRICS; Lugar: Londres; Año: 2012 vol. 427 p. 41 - 51

R. MACHADO; M. SEPLIARSKY; M. G. STACHIOTTI

First-Principles Calculations of Structural Properties of NaNbO3

FERROELECTRICS; Lugar: Londres; Año: 2012 vol. 427 p. 98 - 104

R. MACHADO; M. SEPLIARSKY; M. G. STACHIOTTI

Off-center impurities in a robust ferroelectric material: Case of Li in KNbO3

PHYSICAL REVIEW B; Lugar: New York; Año: 2012 vol. 86 p. 94118 - 94118

M. G. STACHIOTTI; M. SEPLIARSKY

Toroidal Ferroelectricity in PbTiO_{3} Nanoparticles

PHYSICAL REVIEW LETTERS; Año: 2011 vol. 106 p. 137601 - 137601

R. MACHADO; M. SEPLIARSKY; M. G. STACHIOTTI

Relative phase stability and lattice dynamics of NaNbO3 from first-principles calculations

PHYSICAL REVIEW B; Año: 2011 vol. 84 p. 134107 - 134107

M. SEPLIARSKY; R. E. COHEN

First-principles based atomistic modeling of phase stability in PMN-xPT.

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2011 vol. 23 p. 435902 - 435902

R. MACHADO; M. G. STACHIOTTI; M. SEPLIARSKY

Phase transitions and piezoelectric properties of SrBi2Ta2O9 by molecular dynamics simulations

JOURNAL OF MATERIALS SCIENCE; Año: 2010 vol. 45 p. 4912 - 4918

M. SEPLIARSKY; S. TINTE

Dynamical behavior of the phase transition of epitaxial BaTiO_3 from atomistic simulations

PHYSICA B - CONDENSED MATTER; Año: 2009 p. 2730 - 2732

R. MACHADO; M. SEPLIARSKY; M. G. STACHIOTTI

Temperature-driven phase transitions in SrBi2Ta2O9 from first-principles calculations

APPLIED PHYSICS LETTERS; Año: 2008 vol. 93 p. 2429011 - 2429023

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI

Surface and Substrate effects on the ferroelectric properties of PbTiO3 ultrathin films.

FERROELECTRICS; Año: 2006 vol. 335 p. 3 - 12

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI

Interface effects in ferroelectric PbTiO3 ultrathin films on a paralectric substrate.

PHYSICAL REVIEW LETTERS; Año: 2006 vol. 96 p. 137603 - 137603

S. PHILLPOT; M. SEPLIARSKY; S. STREIFFER; M. G. STACHIOTTI; R. L. MIGONI

Order-disorder behavior in KNbO3 and KNbO3/ KTaO3 solid solution and superlattice by molecular dynamics simulation.

JOURNAL OF MATERIALS SCIENCE; Año: 2005 vol. 40 p. 3213 - 3217

M. SEPLIARSKY; A. ASTHAGIRI; S. PHILLPOT; M. G. STACHIOTTI; R. L. MIGONI

Atomic-level simulation of ferroelectricity in oxide materials.

Current Opinion in Solid State and Materials Science; Año: 2005 vol. 9 p. 107 - 113

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI

Surface reconstruction and ferroelectricity in PbTiO3

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Año: 2005 vol. 72 p. 14110 - 14110

S. TINTE; M. G. STACHIOTTI; S. PHILLPOT; M. SEPLIARSKY; D. WOLF; R. L. MIGONI

Ferroelectric properties of BaxSr1−xTiO3 solid solutions obtained by molecular dynamics simulation

JOURNAL OF PHYSICS CONDENSED MATTER; Lugar: Londres; Año: 2004 vol. 36 p. 3495 - 3506

M. SEPLIARSKY; Z. WU; A. ASTHAGIRI; R. E. COHEN

Atomistic Model Potential for PbTiO 3 and PMN by Fitting First Principles Results

FERROELECTRICS; Lugar: Londres; Año: 2004 vol. 301 p. 51 - 59

S. PHILLPOT; M. SEPLIARSKY; S. STREIFFER; M. G. STACHIOTTI; R. L. MIGONI

Order‐Disorder Behavior in KNbO3 and KNbO3/KTaO3 Solid Solutions and Superlattices by Molecular‐Dynamics Simulation

AIP CONFERENCE PROCEEDINGS; Año: 2002 vol. 626 p. 160 - 168

M. SEPLIARSKY; S. PHILLPOT; D. WOLF; M. G. STACHIOTTI; R. L. MIGONI

Ferroelectric phase transitions and dynamical behavior in KNbO3/ KTaO3 superlattices by molecular-dynamics simulation

JOURNAL OF APPLIED PHYSICS; Lugar: New York; Año: 2002 vol. 91 p. 3165 - 3171

M. SEPLIARSKY; R. E. COHEN

Development of a Shell Model Potential for Molecular Dynamics for PbTiO3 by Fitting First Principles Results

AIP CONFERENCE PROCEEDINGS; Lugar: Washington DC; Año: 2002 vol. 626 p. 36 - 42

M. SEPLIARSKY; S. PHILLPOT; M. G. STACHIOTTI; D. WOLF; R. L. MIGONI

Atomic-level simulation of ferroelectricity in perovskttes

INTEGRATED FERROELECTRICS (PRINT); Lugar: Londres; Año: 2001 vol. 38 p. 81 - 90

M. SEPLIARSKY; S. PHILLPOT; D. WOLF; M. G. STACHIOTTI; R. L. MIGONI

Long-ranged ferroelectric interactions in perovskite superlattices

PHYSICAL REVIEW B; Año: 2001 vol. 64 p. 60101 - 60101

M. SEPLIARSKY; S. PHILLPOT; S. STREIFFER; M. G. STACHIOTTI; R. L. MIGONI

Polarization reversal in a perovskite ferroelectric by molecular-dynamics simulation

APPLIED PHYSICS LETTERS; Lugar: New York; Año: 2001 vol. 79 p. 4417 - 4419

M. SEPLIARSKY; S. PHILLPOT; D. WOLF; M. G. STACHIOTTI; R. L. MIGONI

Ferroelectric properties of KNbO 3 /KTaO 3 superlattices by atomic-level simulation

JOURNAL OF APPLIED PHYSICS; Lugar: New York; Año: 2001 vol. 90 p. 4509 - 4519

M. SEPLIARSKY; S. PHILLPOT; D. WOLF; M. G. STACHIOTTI; R. L. MIGONI

Atomic-level simulation of ferroelectricity in perovskite solid solutions

APPLIED PHYSICS LETTERS; Lugar: New York; Año: 2000 vol. 76 p. 3986 - 3989

S. TINTE; M. G. STACHIOTTI; M. SEPLIARSKY; R. L. MIGONI; C. O. RODRIGUEZ

Order-disorder, local structure and precursor effects in BaTiO3

FERROELECTRICS; Lugar: Londres; Año: 2000 vol. 237 p. 41 - 48

S. TINTE; M. G. STACHIOTTI; M. SEPLIARSKY; R. L. MIGONI; C. O. RODRIGUEZ

Atomistic modelling of BaTiO3 based on first-principles calculations

JOURNAL OF PHYSICS CONDENSED MATTER; Lugar: Londres; Año: 1999 vol. 11 p. 9679 - 9690

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI; C. O. RODRIGUEZ

Dynamic mechanisms of the structural phase transitions in KNbO3: Molecular dynamics simulations

FERROELECTRICS; Lugar: Londres; Año: 1999 vol. 234 p. 9 - 27

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI

Ab initio supported model simulations of ferroelectric perovskites

COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 1998 vol. 10 p. 51 - 56

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI; C. O. RODRIGUEZ

Modelling and microscopic dynamics of KNbO 3 from first- principles

AIP CONFERENCE PROCEEDINGS; Año: 1998 vol. 436 p. 274 - 283

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI

Ferroelectric soft mode and relaxation behavior in a molecular-dynamics simulation of KNbO3 and KTaO3

PHYSICAL REVIEW B; Lugar: New York; Año: 1997 vol. 56 p. 566 - 571

S. TINTE; M. SEPLIARSKY; R. L. MIGONI; C. O. RODRIGUEZ

Modelling of the phase transitions sequence in KNbO 3 and BaTiO 3

Z. PHYS. - B - COM. MAT.; Año: 1997 vol. 104 p. 721 - 724

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI

Model potential for the ferroelectric ABO3 perovskites

FERROELECTRICS; Lugar: Londres; Año: 1996 vol. 186 p. 69 - 72

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI

Molecular dynamics simulation of KNbO3: Relaxational dynamics and precursor domains

FERROELECTRICS; Lugar: Londres; Año: 1996 vol. 183 p. 105 - 114

M. SEPLIARSKY; M. G. STACHIOTTI; R. L. MIGONI

Structural instabilities in KTaO3 and KNbO3 described by the nonlinear oxygen polarizability model

PHYSICAL REVIEW B; Año: 1995 vol. 52 p. 4044 - 4049